Benzyl-PEG5-ots

C₂₄H₃₄O₈SCAS 129086-10-8482.59 g/mol

Open in Covalent MOL file

Ether Sulfonate ester

Properties

Molecular formula: C₂₄H₃₄O₈S
Molar mass: 482.59 g/mol
Exact mass: 482.1974 Da
logP: 2.98Crippen estimate
Polar surface area: 89.5 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 19

Identifiers

CAS number

129086-10-8

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCC2=CC=CC=C2

InChIKey

DKGINCKIMWNUHS-UHFFFAOYSA-N

InChI

InChI=1S/C24H34O8S/c1-22-7-9-24(10-8-22)33(25,26)32-20-19-30-16-15-28-12-11-27-13-14-29-17-18-31-21-23-5-3-2-4-6-23/h2-10H,11-21H2,1H3

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Names and synonyms

1 names

Tosylate of pentaethylene glycol monobenzyl ether

Work with Benzyl-PEG5-ots

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethylene glycol ditosylate19249-03-775 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-475 % similar Ethylene glycol ditosylate6315-52-267 % similar 1,3-Propanediol ditosylate5469-66-959 % similar 2-Methoxyethyl P-toluenesulfonate17178-10-859 % similar Propyl 4-methylbenzenesulfonate599-91-756 % similar 2-Chloroethyl P-toluenesulfonate80-41-155 % similar Butyl P-toluenesulfonate778-28-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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